#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvh s GLU 2 N 0.00 3.04 -0.02 0.00 2.12 -1.26 -5.03 118.70 117.56 1bvh s GLU 2 Ca 0.00 -1.11 -0.03 0.00 0.36 0.00 0.00 54.97 54.19 1bvh s GLU 2 Cb 0.00 -4.10 0.00 0.00 0.26 0.00 0.00 34.13 30.30 1bvh s GLU 2 CO 0.00 -1.06 0.06 1.14 -0.54 0.00 0.00 175.26 174.86 1bvh s GLN 3 N 2.04 0.16 -0.08 4.30 -2.07 -1.26 -5.15 119.66 117.61 1bvh s GLN 3 Ca 0.09 -0.07 0.05 0.00 -1.82 0.00 0.00 55.36 53.61 1bvh s GLN 3 Cb -0.21 0.07 -0.01 0.00 -1.09 0.00 0.00 33.01 31.77 1bvh s GLN 3 CO 0.09 -0.03 -0.24 0.08 -1.32 0.00 0.00 175.29 173.88 1bvh s VAL 4 N -0.35 2.10 -2.63 3.63 1.01 -1.26 -4.99 120.40 117.91 1bvh s VAL 4 Ca -0.04 -1.03 0.24 0.00 0.00 0.00 0.00 61.98 61.15 1bvh s VAL 4 Cb -0.03 -1.78 0.37 0.00 0.00 0.00 0.00 36.38 34.94 1bvh s VAL 4 CO 0.00 0.57 1.42 0.35 0.00 0.00 0.00 175.10 177.43 1bvh n THR 5 N 3.19 0.23 -1.12 3.92 -2.24 -1.26 -4.92 114.28 112.08 1bvh n THR 5 Ca -0.18 -0.54 0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1bvh n THR 5 Cb 0.52 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.70 1bvh n THR 5 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bvh n LYS 6 N 1.11 -2.12 -3.37 -0.78 5.02 -1.26 -2.83 118.16 113.94 1bvh n LYS 6 Ca 0.17 1.70 -0.11 0.00 -2.02 0.00 0.00 58.31 58.05 1bvh n LYS 6 Cb 0.53 -2.68 -0.08 0.00 -0.02 0.00 0.00 35.03 32.78 1bvh n LYS 6 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1bvh s SER 7 N -6.27 0.53 -0.12 4.39 0.01 -1.26 -2.42 113.70 108.57 1bvh s SER 7 Ca 0.00 -0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.20 1bvh s SER 7 Cb 0.00 0.97 -0.04 0.00 0.21 0.00 0.00 66.02 67.16 1bvh s SER 7 CO 0.00 -0.32 0.08 0.54 0.41 0.00 0.00 173.24 173.95 1bvh s VAL 8 N 2.50 5.00 -0.20 3.43 0.11 -0.72 -1.57 120.40 128.94 1bvh s VAL 8 Ca 0.11 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.13 1bvh s VAL 8 Cb -0.15 -3.16 0.07 0.00 -1.53 0.00 0.00 36.38 31.61 1bvh s VAL 8 CO -0.19 0.59 0.10 -0.22 -3.33 0.00 0.00 175.10 172.05 1bvh s LEU 9 N -0.78 0.45 0.30 2.54 0.20 -0.67 -1.82 118.68 118.90 1bvh s LEU 9 Ca 0.13 -0.78 -0.02 0.00 0.69 0.00 0.00 54.13 54.15 1bvh s LEU 9 Cb -0.12 -0.29 -0.04 0.00 -0.43 0.00 0.00 46.19 45.31 1bvh s LEU 9 CO 0.03 -0.37 0.53 -0.36 -0.29 0.00 0.00 176.35 175.89 1bvh s PHE 10 N 2.11 3.49 0.05 5.38 0.40 -0.76 -0.90 117.98 127.75 1bvh s PHE 10 Ca 0.03 0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 56.73 1bvh s PHE 10 Cb -0.16 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.40 1bvh s PHE 10 CO -0.15 0.18 0.25 0.08 0.70 0.00 0.00 175.22 176.27 1bvh s VAL 11 N -2.15 0.10 -0.30 -0.44 1.01 0.39 -2.06 120.40 116.96 1bvh s VAL 11 Ca 0.41 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 1bvh s VAL 11 Cb -0.10 -1.00 0.19 0.00 0.00 0.00 0.00 36.38 35.47 1bvh s VAL 11 CO 0.32 -0.46 1.28 0.00 0.00 0.00 0.00 175.10 176.25 1bvh n LEU 13 N 2.50 -2.26 -4.33 0.00 7.94 -1.26 -2.52 117.00 117.06 1bvh n LEU 13 Ca -0.14 -0.17 -0.38 0.00 -1.11 0.00 0.00 56.01 54.21 1bvh n LEU 13 Cb 0.57 -0.86 -0.05 0.00 0.53 0.00 0.00 43.42 43.60 1bvh n LEU 13 CO 0.04 -3.03 -0.11 0.61 -1.11 0.00 0.00 177.39 173.79 1bvh n GLY 14 N 2.29 -0.40 3.56 -3.96 0.00 -1.26 -4.74 105.19 100.68 1bvh n GLY 14 Ca 0.01 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1bvh n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bvh s ASN 15 N -3.38 4.91 0.00 1.61 2.47 -1.05 -3.93 114.94 115.57 1bvh s ASN 15 Ca 0.71 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.65 1bvh s ASN 15 Cb -0.40 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.85 1bvh s ASN 15 CO 0.97 -2.91 0.00 2.30 -3.72 0.00 0.00 177.10 173.74 1bvh n ILE 16 N 7.96 0.00 -3.08 -5.21 -5.35 -1.26 -4.84 119.36 107.58 1bvh n ILE 16 Ca 0.38 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.72 1bvh n ILE 16 Cb 0.47 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.33 1bvh n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bvh n ARG 18 N 3.05 0.00 -0.02 0.00 0.00 -1.26 -4.94 116.66 113.50 1bvh n ARG 18 Ca 0.22 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.94 1bvh n ARG 18 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.89 1bvh n ARG 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1bvh h SER 19 N 0.00 0.08 -0.04 6.15 0.87 -1.90 -2.90 113.55 115.81 1bvh h SER 19 Ca 0.00 -0.38 0.01 0.00 -1.23 0.00 0.00 61.79 60.19 1bvh h SER 19 Cb 0.00 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1bvh h SER 19 CO 0.00 0.44 0.61 -0.65 -0.53 0.00 0.00 176.83 176.70 1bvh h PRO 20 N -0.28 0.00 -0.14 2.24 0.11 -1.92 0.03 132.00 132.04 1bvh h PRO 20 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1bvh h PRO 20 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1bvh h PRO 20 CO 0.00 0.00 0.03 0.82 -0.21 0.00 0.00 178.00 178.64 1bvh h ILE 21 N 0.00 1.21 0.00 4.15 2.04 -1.89 -1.73 117.51 121.29 1bvh h ILE 21 Ca 0.02 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1bvh h ILE 21 Cb 1.23 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1bvh h ILE 21 CO -0.00 0.19 0.11 0.00 0.00 0.00 0.00 178.15 178.45 1bvh h ALA 22 N 0.82 1.10 -0.06 1.87 0.00 -1.13 -2.03 119.26 119.83 1bvh h ALA 22 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bvh h ALA 22 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1bvh h ALA 22 CO 0.00 -0.10 0.00 -1.91 0.00 0.00 0.00 179.25 177.24 1bvh n GLU 23 N -2.90 0.00 -0.29 0.00 0.00 -0.67 -2.29 120.64 114.48 1bvh n GLU 23 Ca -0.02 0.49 0.07 0.00 0.00 0.00 0.00 57.16 57.70 1bvh n GLU 23 Cb 0.16 -1.07 0.18 0.00 0.00 0.00 0.00 31.44 30.72 1bvh n GLU 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bvh h ALA 24 N -2.00 0.85 -0.30 4.31 0.00 -1.35 0.34 119.26 121.12 1bvh h ALA 24 Ca 0.00 0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1bvh h ALA 24 Cb 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1bvh h ALA 24 CO 0.00 -0.45 -0.07 0.28 0.00 0.00 0.00 179.25 179.01 1bvh h VAL 25 N 0.06 0.71 -0.99 0.00 2.07 -1.49 0.16 116.25 116.76 1bvh h VAL 25 Ca 0.46 -0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.20 1bvh h VAL 25 Cb 0.84 0.70 -0.10 0.00 -1.52 0.00 0.00 31.29 31.21 1bvh h VAL 25 CO -0.77 0.00 0.62 0.15 0.02 0.00 0.00 177.57 177.59 1bvh h PHE 26 N 0.01 0.84 -0.58 1.57 3.57 0.10 0.51 116.94 122.95 1bvh h PHE 26 Ca 0.14 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.72 1bvh h PHE 26 Cb 0.21 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 1bvh h PHE 26 CO -0.28 0.15 0.30 -0.09 -2.23 0.00 0.00 178.31 176.16 1bvh h ARG 27 N 0.57 0.55 -0.00 1.11 2.43 -0.06 0.51 114.38 119.49 1bvh h ARG 27 Ca 0.57 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1bvh h ARG 27 Cb 1.16 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1bvh h ARG 27 CO -0.32 0.36 -0.07 1.17 -1.51 0.00 0.00 179.97 179.60 1bvh n LYS 28 N -4.86 0.12 0.01 0.20 3.00 0.15 -2.19 118.16 114.60 1bvh n LYS 28 Ca 0.06 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.31 58.26 1bvh n LYS 28 Cb 0.16 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.56 1bvh n LYS 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1bvh h LEU 29 N 0.04 0.06 0.00 3.14 3.38 0.15 -3.24 115.31 118.85 1bvh h LEU 29 Ca 0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1bvh h LEU 29 Cb 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1bvh h LEU 29 CO 0.00 1.09 -0.83 0.55 0.09 0.00 0.00 178.44 179.34 1bvh n VAL 30 N -3.20 1.46 -0.45 1.22 3.14 -0.38 -3.07 118.33 117.04 1bvh n VAL 30 Ca -0.12 0.12 0.39 0.00 -2.96 0.00 0.00 64.34 61.77 1bvh n VAL 30 Cb 1.02 -2.27 0.72 0.00 -1.06 0.00 0.00 33.84 32.25 1bvh n VAL 30 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1bvh h THR 31 N -1.00 0.25 0.02 1.55 2.02 -1.65 0.96 112.91 115.06 1bvh h THR 31 Ca -0.13 -0.02 -0.20 0.00 0.77 0.00 0.00 66.41 66.82 1bvh h THR 31 Cb 0.81 0.18 0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1bvh h THR 31 CO -0.08 0.01 -0.81 -0.78 0.37 0.00 0.00 175.52 174.23 1bvh h ASP 32 N 0.07 0.68 0.43 4.18 3.58 -1.70 -3.02 116.42 120.64 1bvh h ASP 32 Ca 0.72 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1bvh h ASP 32 Cb 2.65 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 43.49 1bvh h ASP 32 CO -0.13 1.37 0.00 1.67 -2.88 0.00 0.00 179.24 179.27 1bvh n GLN 33 N -4.06 0.20 -2.30 0.28 -0.06 0.30 -4.87 117.38 106.86 1bvh n GLN 33 Ca -0.11 0.13 -0.03 0.00 -2.00 0.00 0.00 57.00 54.99 1bvh n GLN 33 Cb 0.78 -1.50 0.01 0.00 -4.06 0.00 0.00 30.24 25.47 1bvh n GLN 33 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1bvh n ASN 34 N -1.34 -2.11 0.00 1.69 5.15 0.74 -4.96 115.26 114.42 1bvh n ASN 34 Ca 0.08 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1bvh n ASN 34 Cb 0.17 -1.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.14 1bvh n ASN 34 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1bvh n ILE 35 N -1.72 0.00 -0.14 -1.44 -5.35 -1.03 -4.85 119.36 104.82 1bvh n ILE 35 Ca -0.04 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.32 1bvh n ILE 35 Cb 0.53 1.11 -0.01 0.00 -1.74 0.00 0.00 39.64 39.52 1bvh n ILE 35 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1bvh h SER 36 N 0.00 0.87 -0.01 7.28 4.64 -1.87 -2.27 113.55 122.19 1bvh h SER 36 Ca 0.00 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1bvh h SER 36 Cb 0.93 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1bvh h SER 36 CO 0.00 1.07 0.35 -0.78 -0.87 0.00 0.00 176.83 176.60 1bvh h ASP 37 N 0.68 0.00 -1.13 4.97 1.82 -1.94 -0.46 116.42 120.34 1bvh h ASP 37 Ca 0.10 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.18 1bvh h ASP 37 Cb 0.72 0.00 -0.42 0.00 0.68 0.00 0.00 39.33 40.31 1bvh h ASP 37 CO 0.05 0.00 -0.79 0.59 -1.61 0.00 0.00 179.24 177.48 1bvh n ASN 38 N -2.90 4.63 -3.70 2.28 4.13 -0.86 -5.02 115.26 113.83 1bvh n ASN 38 Ca -0.02 -3.66 -0.11 0.00 1.68 0.00 0.00 54.58 52.48 1bvh n ASN 38 Cb 0.40 -0.41 -0.11 0.00 -1.54 0.00 0.00 39.78 38.12 1bvh n ASN 38 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1bvh s TRP 39 N -3.56 -0.55 -0.80 3.10 0.52 -0.18 -4.08 118.94 113.38 1bvh s TRP 39 Ca 0.48 1.18 -0.08 0.00 0.02 0.00 0.00 56.10 57.71 1bvh s TRP 39 Cb 0.40 0.21 0.21 0.00 -1.15 0.00 0.00 33.47 33.14 1bvh s TRP 39 CO -0.08 -0.33 0.69 0.08 0.02 0.00 0.00 176.95 177.33 1bvh s VAL 40 N 1.48 4.80 0.03 4.03 1.01 -1.01 -4.95 120.40 125.78 1bvh s VAL 40 Ca -0.09 -2.95 -0.12 0.00 0.00 0.00 0.00 61.98 58.82 1bvh s VAL 40 Cb -0.09 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1bvh s VAL 40 CO -0.12 -1.00 0.38 -0.63 0.00 0.00 0.00 175.10 173.73 1bvh s ILE 41 N -0.30 5.10 0.28 2.22 1.01 -1.26 -1.76 121.20 126.49 1bvh s ILE 41 Ca 0.20 0.61 -0.19 0.00 0.00 0.00 0.00 60.65 61.27 1bvh s ILE 41 Cb -0.13 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 38.75 1bvh s ILE 41 CO -0.07 0.45 0.92 -0.62 0.00 0.00 0.00 174.94 175.62 1bvh s ASP 42 N -1.38 -0.01 -0.10 3.58 -1.08 -0.76 -4.98 116.67 111.95 1bvh s ASP 42 Ca 0.27 -0.88 -0.33 0.00 -0.52 0.00 0.00 52.55 51.10 1bvh s ASP 42 Cb -0.15 0.66 0.15 0.00 -1.46 0.00 0.00 42.92 42.12 1bvh s ASP 42 CO 0.15 -1.31 1.44 -0.94 0.52 0.00 0.00 175.17 175.02 1bvh s SER 43 N -3.23 -0.00 0.00 -0.34 1.04 -1.26 -1.82 113.70 108.09 1bvh s SER 43 Ca 0.18 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1bvh s SER 43 Cb -0.04 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1bvh s SER 43 CO 0.08 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1bvh n GLY 44 N -0.49 0.91 3.88 7.32 0.00 -0.87 -4.77 105.19 111.16 1bvh n GLY 44 Ca -0.10 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1bvh n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvh s ALA 45 N -1.00 4.12 -1.06 4.61 0.00 -1.11 -2.21 121.76 125.11 1bvh s ALA 45 Ca 0.00 -1.82 0.16 0.00 0.00 0.00 0.00 51.96 50.31 1bvh s ALA 45 Cb 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 23.12 22.06 1bvh s ALA 45 CO 0.00 -0.29 0.76 0.28 0.00 0.00 0.00 175.76 176.51 1bvh n VAL 46 N -1.60 0.00 -3.11 0.00 0.31 -1.26 -2.02 118.33 110.65 1bvh n VAL 46 Ca 0.03 -0.19 -0.19 0.00 -0.01 0.00 0.00 64.34 63.98 1bvh n VAL 46 Cb 0.62 1.07 0.03 0.00 -0.91 0.00 0.00 33.84 34.66 1bvh n VAL 46 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1bvh s SER 47 N -2.33 5.31 -0.33 4.52 0.01 -1.26 -4.74 113.70 114.86 1bvh s SER 47 Ca 0.09 -0.68 0.07 0.00 1.31 0.00 0.00 55.95 56.74 1bvh s SER 47 Cb 0.13 -0.16 0.54 0.00 0.21 0.00 0.00 66.02 66.74 1bvh s SER 47 CO 0.58 -1.04 1.56 -0.67 0.41 0.00 0.00 173.24 174.09 1bvh n ASP 48 N -2.00 2.87 -0.12 2.44 2.03 -1.26 -4.48 116.55 116.03 1bvh n ASP 48 Ca 0.11 -3.76 -0.26 0.00 0.52 0.00 0.00 54.79 51.40 1bvh n ASP 48 Cb 0.61 -0.68 -0.09 0.00 -0.72 0.00 0.00 41.12 40.24 1bvh n ASP 48 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1bvh n TRP 49 N -1.12 0.00 -0.79 -0.67 8.01 -1.26 -4.47 117.44 117.14 1bvh n TRP 49 Ca 0.40 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 56.42 1bvh n TRP 49 Cb 1.16 -0.88 0.05 0.00 -2.01 0.00 0.00 31.31 29.63 1bvh n TRP 49 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1bvh n ASN 50 N -4.03 6.00 -4.53 -0.99 3.02 -1.26 -4.79 115.26 108.68 1bvh n ASN 50 Ca -0.48 -3.06 -0.42 0.00 -0.03 0.00 0.00 54.58 50.59 1bvh n ASN 50 Cb 0.85 -0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1bvh n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bvh s VAL 51 N -2.33 4.00 0.00 2.41 1.01 -1.26 -3.32 120.40 120.91 1bvh s VAL 51 Ca 0.32 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1bvh s VAL 51 Cb 0.26 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 31.71 1bvh s VAL 51 CO 0.01 -1.80 0.00 0.61 0.00 0.00 0.00 175.10 173.91 1bvh n GLY 52 N 6.01 2.37 3.55 4.51 0.00 0.23 -4.86 105.19 117.01 1bvh n GLY 52 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 1bvh n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bvh n ARG 53 N -1.46 0.98 -0.94 1.61 1.74 -1.21 -4.41 116.66 112.97 1bvh n ARG 53 Ca 0.00 0.35 -0.31 0.00 -0.77 0.00 0.00 57.85 57.11 1bvh n ARG 53 Cb 0.00 -1.73 0.14 0.00 -1.02 0.00 0.00 32.46 29.85 1bvh n ARG 53 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1bvh s SER 54 N -0.33 3.51 0.00 0.55 0.01 -1.26 -4.30 113.70 111.88 1bvh s SER 54 Ca 0.68 2.10 0.18 0.00 1.31 0.00 0.00 55.95 60.22 1bvh s SER 54 Cb -0.84 -2.56 0.98 0.00 0.21 0.00 0.00 66.02 63.81 1bvh s SER 54 CO 0.55 -2.71 1.52 -0.81 0.41 0.00 0.00 173.24 172.20 1bvh n PRO 55 N -3.86 0.38 -1.60 12.44 -0.04 -1.26 -4.85 135.00 136.21 1bvh n PRO 55 Ca 0.11 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1bvh n PRO 55 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1bvh n PRO 55 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bvh n ASP 56 N -1.17 -8.66 0.00 3.54 8.00 -1.26 -4.29 116.55 112.71 1bvh n ASP 56 Ca 0.11 1.31 0.11 0.00 0.71 0.00 0.00 54.79 57.03 1bvh n ASP 56 Cb 0.11 -4.88 0.61 0.00 -0.02 0.00 0.00 41.12 36.94 1bvh n ASP 56 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1bvh n PRO 57 N -1.05 0.58 0.16 -0.24 -0.04 -1.26 -3.01 135.00 130.14 1bvh n PRO 57 Ca 0.00 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 1bvh n PRO 57 Cb 0.04 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.23 1bvh n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bvh h ARG 58 N 0.00 0.00 0.14 0.54 3.08 -1.98 -3.25 114.38 112.92 1bvh h ARG 58 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 1bvh h ARG 58 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1bvh h ARG 58 CO 0.00 0.52 -1.93 0.00 -1.07 0.00 0.00 179.97 177.49 1bvh h ALA 59 N 1.48 0.36 -0.93 0.04 0.00 -1.72 -3.33 119.26 115.16 1bvh h ALA 59 Ca -0.01 -1.33 0.27 0.00 0.00 0.00 0.00 54.91 53.85 1bvh h ALA 59 Cb 1.05 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 1bvh h ALA 59 CO 0.07 1.24 0.98 -0.24 0.00 0.00 0.00 179.25 181.30 1bvh h VAL 60 N 0.08 0.13 0.00 0.00 3.04 -1.67 -0.82 116.25 117.01 1bvh h VAL 60 Ca -0.40 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1bvh h VAL 60 Cb 2.05 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1bvh h VAL 60 CO 0.11 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.13 1bvh n SER 61 N -3.49 0.00 0.00 3.17 3.41 -1.25 -0.46 113.62 115.01 1bvh n SER 61 Ca 0.20 0.03 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1bvh n SER 61 Cb 1.28 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 65.79 1bvh n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bvh n LEU 63 N -1.19 0.88 -4.09 0.00 7.94 -0.33 -4.51 117.00 115.71 1bvh n LEU 63 Ca 0.12 0.19 -0.43 0.00 -1.11 0.00 0.00 56.01 54.78 1bvh n LEU 63 Cb 0.13 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 43.80 1bvh n LEU 63 CO 0.14 -0.28 2.29 -1.14 -1.11 0.00 0.00 177.39 177.29 1bvh n ARG 64 N -1.58 3.08 0.07 1.96 0.63 0.40 -3.78 116.66 117.43 1bvh n ARG 64 Ca 0.00 -3.00 0.00 0.00 -0.92 0.00 0.00 57.85 53.93 1bvh n ARG 64 Cb 0.00 -3.31 0.00 0.00 0.45 0.00 0.00 32.46 29.60 1bvh n ARG 64 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1bvh n ASN 65 N 6.67 -0.59 0.16 6.15 5.15 -1.26 -4.80 115.26 126.74 1bvh n ASN 65 Ca 0.49 0.25 0.06 0.00 -0.60 0.00 0.00 54.58 54.78 1bvh n ASN 65 Cb 0.41 0.71 0.07 0.00 -0.53 0.00 0.00 39.78 40.44 1bvh n ASN 65 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1bvh h HIS 66 N 0.00 0.00 0.00 1.20 3.86 -1.83 -3.46 115.15 114.92 1bvh h HIS 66 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bvh h HIS 66 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1bvh h HIS 66 CO 0.00 0.32 0.00 0.41 0.86 0.00 0.00 177.93 179.52 1bvh n GLY 67 N 1.19 -0.52 3.61 2.45 0.00 -1.26 -5.17 105.19 105.49 1bvh n GLY 67 Ca 0.02 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1bvh n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bvh s ILE 68 N 0.00 3.37 -0.32 -0.61 -1.09 -1.25 -4.86 121.20 116.45 1bvh s ILE 68 Ca 0.00 -1.69 0.01 0.00 -2.23 0.00 0.00 60.65 56.74 1bvh s ILE 68 Cb 0.00 -2.71 0.14 0.00 -1.58 0.00 0.00 42.46 38.31 1bvh s ILE 68 CO 0.00 -0.19 0.33 0.20 -1.23 0.00 0.00 174.94 174.05 1bvh s ASN 69 N -3.10 1.48 -0.80 3.58 0.01 -1.26 -4.76 114.94 110.09 1bvh s ASN 69 Ca 0.27 -1.04 0.02 0.00 -0.71 0.00 0.00 52.86 51.41 1bvh s ASN 69 Cb -0.08 0.54 0.25 0.00 0.41 0.00 0.00 41.25 42.36 1bvh s ASN 69 CO 0.17 -0.34 0.90 1.07 -1.51 0.00 0.00 177.10 177.39 1bvh n THR 70 N 4.94 3.10 -1.65 1.60 5.66 -1.26 -4.84 114.28 121.83 1bvh n THR 70 Ca 0.03 -5.33 -0.32 0.00 -3.05 0.00 0.00 64.05 55.37 1bvh n THR 70 Cb 0.46 -2.16 -0.04 0.00 -1.55 0.00 0.00 70.33 67.04 1bvh n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bvh n ALA 71 N 1.34 6.68 -2.46 1.79 0.00 -1.26 -4.89 120.51 121.70 1bvh n ALA 71 Ca 0.27 -3.42 -0.14 0.00 0.00 0.00 0.00 53.44 50.15 1bvh n ALA 71 Cb 0.38 -2.51 -0.11 0.00 0.00 0.00 0.00 19.45 17.21 1bvh n ALA 71 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1bvh s HIS 72 N -0.99 1.01 0.45 0.00 -3.43 -1.26 -5.16 115.29 105.92 1bvh s HIS 72 Ca 0.58 -0.68 0.07 0.00 -0.80 0.00 0.00 55.06 54.23 1bvh s HIS 72 Cb 0.28 -0.56 0.02 0.00 -1.43 0.00 0.00 32.58 30.89 1bvh s HIS 72 CO -0.14 -0.03 0.62 0.21 -2.00 0.00 0.00 174.74 173.41 1bvh s LYS 73 N -2.86 2.74 0.20 -0.38 2.47 -1.26 -4.93 119.74 115.72 1bvh s LYS 73 Ca 0.05 -1.17 -0.11 0.00 -1.56 0.00 0.00 55.97 53.18 1bvh s LYS 73 Cb -0.02 -2.70 -0.07 0.00 -1.46 0.00 0.00 37.83 33.58 1bvh s LYS 73 CO -0.01 -0.39 0.55 0.00 0.16 0.00 0.00 175.35 175.66 1bvh s ALA 74 N -2.45 3.56 0.01 3.13 0.00 -1.26 -4.88 121.76 119.87 1bvh s ALA 74 Ca 0.56 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 1bvh s ALA 74 Cb -0.10 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.58 1bvh s ALA 74 CO 0.34 0.49 0.38 1.03 0.00 0.00 0.00 175.76 178.00 1bvh s ARG 75 N -2.54 0.81 0.12 0.00 1.81 -1.26 0.75 118.95 118.64 1bvh s ARG 75 Ca 0.44 -0.25 -0.29 0.00 -1.72 0.00 0.00 55.73 53.91 1bvh s ARG 75 Cb -0.12 0.36 -0.06 0.00 -0.45 0.00 0.00 34.95 34.67 1bvh s ARG 75 CO 0.20 -0.25 0.93 -1.14 -0.68 0.00 0.00 175.30 174.37 1bvh s GLN 76 N -1.87 4.70 0.54 3.54 0.74 -1.26 -2.76 119.66 123.28 1bvh s GLN 76 Ca -0.09 1.41 -0.21 0.00 0.05 0.00 0.00 55.36 56.52 1bvh s GLN 76 Cb -0.03 -3.36 -0.06 0.00 1.10 0.00 0.00 33.01 30.67 1bvh s GLN 76 CO 0.02 0.27 1.16 1.55 -0.55 0.00 0.00 175.29 177.74 1bvh n VAL 77 N 2.59 3.54 -4.17 1.34 3.14 -0.86 -4.97 118.33 118.95 1bvh n VAL 77 Ca 0.01 -0.50 -0.11 0.00 -2.96 0.00 0.00 64.34 60.78 1bvh n VAL 77 Cb 0.49 -1.40 -0.10 0.00 -1.06 0.00 0.00 33.84 31.77 1bvh n VAL 77 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1bvh s THR 78 N -1.36 0.22 0.40 1.55 -4.23 -1.26 -5.00 115.64 105.96 1bvh s THR 78 Ca 0.72 -1.93 0.22 0.00 -1.18 0.00 0.00 61.69 59.52 1bvh s THR 78 Cb -0.44 -2.09 0.42 0.00 1.34 0.00 0.00 72.50 71.72 1bvh s THR 78 CO 0.50 -0.44 1.70 0.50 -0.54 0.00 0.00 174.62 176.35 1bvh h LYS 79 N 2.81 0.27 0.67 3.99 3.11 -1.97 0.34 116.57 125.79 1bvh h LYS 79 Ca -0.35 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.44 1bvh h LYS 79 Cb 1.20 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 1bvh h LYS 79 CO 0.60 0.18 -0.33 1.49 -2.81 0.00 0.00 179.45 178.57 1bvh h GLU 80 N 0.28 -0.88 -0.97 1.90 4.81 -1.98 -2.49 114.58 115.25 1bvh h GLU 80 Ca 0.69 0.06 0.20 0.00 -0.13 0.00 0.00 59.36 60.18 1bvh h GLU 80 Cb 1.90 0.20 -0.11 0.00 0.63 0.00 0.00 28.75 31.37 1bvh h GLU 80 CO -0.38 -0.59 0.56 -0.44 -0.73 0.00 0.00 179.01 177.43 1bvh h ASP 81 N -0.92 0.68 0.24 1.04 3.32 -1.33 0.60 116.42 120.05 1bvh h ASP 81 Ca -0.09 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1bvh h ASP 81 Cb 0.71 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 1bvh h ASP 81 CO 0.14 0.21 -0.44 -0.26 -1.72 0.00 0.00 179.24 177.17 1bvh h PHE 82 N 0.67 -1.23 0.00 4.55 0.04 -1.00 0.38 116.94 120.35 1bvh h PHE 82 Ca 0.57 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.37 1bvh h PHE 82 Cb 0.94 0.51 0.00 0.00 2.20 0.00 0.00 35.95 39.59 1bvh h PHE 82 CO -0.03 -0.56 0.00 1.55 -0.60 0.00 0.00 178.31 178.67 1bvh n VAL 83 N -5.49 0.03 0.00 -0.55 3.14 -0.60 -1.35 118.33 113.51 1bvh n VAL 83 Ca -0.09 0.01 -0.02 0.00 -2.96 0.00 0.00 64.34 61.28 1bvh n VAL 83 Cb 0.40 -0.54 -0.01 0.00 -1.06 0.00 0.00 33.84 32.63 1bvh n VAL 83 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1bvh h THR 84 N 0.00 0.00 -1.37 1.55 2.02 0.23 -3.43 112.91 111.92 1bvh h THR 84 Ca 0.00 -0.89 -0.48 0.00 0.77 0.00 0.00 66.41 65.81 1bvh h THR 84 Cb 0.11 0.00 0.05 0.00 -1.74 0.00 0.00 68.15 66.57 1bvh h THR 84 CO 0.00 0.00 -0.01 -0.36 0.37 0.00 0.00 175.52 175.52 1bvh s PHE 85 N -1.91 1.46 -0.01 3.16 0.40 -0.83 -4.99 117.98 115.26 1bvh s PHE 85 Ca -0.02 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1bvh s PHE 85 Cb 0.00 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.95 1bvh s PHE 85 CO 0.05 -1.41 0.03 -3.47 0.70 0.00 0.00 175.22 171.12 1bvh n ASP 86 N -2.51 4.55 -3.53 1.36 2.03 -0.75 -3.49 116.55 114.21 1bvh n ASP 86 Ca 0.16 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.13 1bvh n ASP 86 Cb 0.61 0.96 -0.04 0.00 -0.72 0.00 0.00 41.12 41.93 1bvh n ASP 86 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1bvh n TYR 87 N -1.69 3.22 -2.52 -0.67 4.01 -0.61 0.47 117.16 119.37 1bvh n TYR 87 Ca -0.01 -3.49 -0.40 0.00 -0.16 0.00 0.00 57.90 53.84 1bvh n TYR 87 Cb 0.18 -0.82 -0.03 0.00 -0.31 0.00 0.00 39.34 38.36 1bvh n TYR 87 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bvh s ILE 88 N -3.15 3.86 0.37 -0.72 1.01 -0.02 -1.66 121.20 120.89 1bvh s ILE 88 Ca 0.39 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.51 1bvh s ILE 88 Cb 0.15 -4.96 -0.04 0.00 0.01 0.00 0.00 42.46 37.62 1bvh s ILE 88 CO -0.01 -1.85 0.17 -0.76 0.00 0.00 0.00 174.94 172.49 1bvh s LEU 89 N 5.47 3.22 0.15 2.97 1.02 -0.08 -2.52 118.68 128.90 1bvh s LEU 89 Ca 0.47 -0.88 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 1bvh s LEU 89 Cb -0.01 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.50 1bvh s LEU 89 CO -0.07 -0.41 0.07 0.00 0.02 0.00 0.00 176.35 175.96 1bvh s MET 91 N -4.06 4.30 -0.46 0.00 -1.94 -0.94 -2.25 119.30 113.95 1bvh s MET 91 Ca 0.27 2.22 -0.42 0.00 -1.71 0.00 0.00 55.69 56.05 1bvh s MET 91 Cb 0.07 -3.15 -0.17 0.00 2.01 0.00 0.00 34.83 33.59 1bvh s MET 91 CO 0.04 -0.40 2.15 -3.47 -0.01 0.00 0.00 175.02 173.33 1bvh n ASP 92 N 2.83 1.12 -2.99 3.03 -0.08 -1.25 -4.79 116.55 114.43 1bvh n ASP 92 Ca 0.08 0.61 0.01 0.00 -1.51 0.00 0.00 54.79 53.98 1bvh n ASP 92 Cb 0.41 -1.00 0.01 0.00 2.34 0.00 0.00 41.12 42.88 1bvh n ASP 92 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1bvh n GLU 93 N 7.67 0.23 -0.32 -0.67 1.02 -1.26 -3.83 120.64 123.48 1bvh n GLU 93 Ca 0.51 -0.72 0.04 0.00 -0.02 0.00 0.00 57.16 56.97 1bvh n GLU 93 Cb 0.03 1.10 0.18 0.00 -0.02 0.00 0.00 31.44 32.73 1bvh n GLU 93 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1bvh n SER 94 N -0.92 2.68 0.09 1.62 7.64 -1.26 -3.85 113.62 119.61 1bvh n SER 94 Ca 0.02 -2.25 0.13 0.00 1.01 0.00 0.00 58.87 57.78 1bvh n SER 94 Cb 0.43 -0.43 0.34 0.00 -1.01 0.00 0.00 64.21 63.54 1bvh n SER 94 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bvh n ASN 95 N 0.41 0.78 -0.38 6.43 5.15 -1.26 -3.13 115.26 123.25 1bvh n ASN 95 Ca 0.13 0.45 0.09 0.00 -0.60 0.00 0.00 54.58 54.65 1bvh n ASN 95 Cb 0.53 -0.53 0.38 0.00 -0.53 0.00 0.00 39.78 39.63 1bvh n ASN 95 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1bvh n LEU 96 N -2.21 1.14 0.29 1.20 0.00 -1.25 -3.80 117.00 112.36 1bvh n LEU 96 Ca 0.05 -0.49 0.19 0.00 0.00 0.00 0.00 56.01 55.76 1bvh n LEU 96 Cb 0.43 -0.08 0.92 0.00 0.00 0.00 0.00 43.42 44.69 1bvh n LEU 96 CO 0.32 0.25 1.07 0.03 0.00 0.00 0.00 177.39 179.05 1bvh h ARG 97 N 1.47 0.00 0.00 1.96 3.08 -1.84 -1.60 114.38 117.46 1bvh h ARG 97 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 1bvh h ARG 97 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1bvh h ARG 97 CO 0.00 0.00 -1.94 -3.47 -1.07 0.00 0.00 179.97 173.49 1bvh n ASP 98 N -2.97 2.26 -0.07 7.04 -0.08 -1.25 -4.26 116.55 117.23 1bvh n ASP 98 Ca -0.01 0.01 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 1bvh n ASP 98 Cb 0.17 -0.34 0.46 0.00 2.34 0.00 0.00 41.12 43.75 1bvh n ASP 98 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1bvh h LEU 99 N -0.20 0.43 -0.92 -2.67 3.38 -1.71 0.40 115.31 114.02 1bvh h LEU 99 Ca -0.39 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 1bvh h LEU 99 Cb 1.50 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1bvh h LEU 99 CO -0.12 0.28 -0.43 -1.13 0.09 0.00 0.00 178.44 177.13 1bvh h ASN 100 N 0.49 0.24 -0.08 -0.43 -0.73 -1.52 -2.66 115.58 110.89 1bvh h ASN 100 Ca 0.24 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1bvh h ASN 100 Cb 0.32 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.85 1bvh h ASN 100 CO -0.07 0.65 0.00 -1.14 -0.37 0.00 0.00 177.43 176.50 1bvh n ARG 101 N -4.01 2.14 0.05 6.67 3.00 -0.01 -4.10 116.66 120.40 1bvh n ARG 101 Ca -0.02 -1.67 -0.08 0.00 -0.00 0.00 0.00 57.85 56.09 1bvh n ARG 101 Cb 0.49 -1.47 -0.12 0.00 0.00 0.00 0.00 32.46 31.36 1bvh n ARG 101 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1bvh h LYS 102 N 3.88 0.01 0.00 -0.14 1.57 0.08 -3.17 116.57 118.80 1bvh h LYS 102 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1bvh h LYS 102 Cb 0.83 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1bvh h LYS 102 CO 0.00 0.94 0.00 0.66 -0.57 0.00 0.00 179.45 180.48 1bvh h SER 103 N 0.00 0.00 0.70 0.86 4.64 -1.71 -0.98 113.55 117.07 1bvh h SER 103 Ca -0.05 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.01 1bvh h SER 103 Cb 1.81 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.87 1bvh h SER 103 CO 0.13 0.00 -1.36 -1.13 -0.87 0.00 0.00 176.83 173.60 1bvh h ASN 104 N 0.00 0.09 0.73 4.97 -0.73 -1.80 -3.28 115.58 115.56 1bvh h ASN 104 Ca 0.00 -0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.04 1bvh h ASN 104 Cb 0.16 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1bvh h ASN 104 CO 0.00 1.11 -0.52 0.00 -0.37 0.00 0.00 177.43 177.65 1bvh n GLN 105 N -3.27 0.15 -2.65 6.67 6.02 -0.60 -4.87 117.38 118.83 1bvh n GLN 105 Ca -0.09 0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.59 1bvh n GLN 105 Cb 1.00 -1.60 -0.05 0.00 1.02 0.00 0.00 30.24 30.61 1bvh n GLN 105 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1bvh s VAL 106 N -3.09 3.98 -0.42 5.09 1.01 -0.47 -4.98 120.40 121.52 1bvh s VAL 106 Ca 0.09 1.41 -0.26 0.00 0.00 0.00 0.00 61.98 63.22 1bvh s VAL 106 Cb 0.15 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1bvh s VAL 106 CO 0.70 -0.09 0.97 -0.54 0.00 0.00 0.00 175.10 176.13 1bvh s LYS 107 N -2.71 3.72 -1.46 2.72 -0.14 -1.26 -3.80 119.74 116.80 1bvh s LYS 107 Ca 0.59 0.45 -0.11 0.00 -1.36 0.00 0.00 55.97 55.55 1bvh s LYS 107 Cb -0.17 -3.86 0.06 0.00 -1.68 0.00 0.00 37.83 32.18 1bvh s LYS 107 CO 0.22 -1.11 0.80 0.09 -0.76 0.00 0.00 175.35 174.58 1bvh n ASN 108 N 7.09 -4.95 -4.11 2.83 4.13 -1.26 -4.87 115.26 114.13 1bvh n ASN 108 Ca 0.08 -0.56 -0.35 0.00 1.68 0.00 0.00 54.58 55.43 1bvh n ASN 108 Cb 0.48 -3.98 0.06 0.00 -1.54 0.00 0.00 39.78 34.80 1bvh n ASN 108 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bvh n ARG 110 N 1.39 0.98 -3.92 0.00 -4.01 -1.20 -4.85 116.66 105.04 1bvh n ARG 110 Ca 0.00 -2.04 -0.30 0.00 -1.04 0.00 0.00 57.85 54.47 1bvh n ARG 110 Cb 0.56 -0.28 -0.13 0.00 -3.04 0.00 0.00 32.46 29.57 1bvh n ARG 110 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1bvh s ALA 111 N -1.16 3.40 -0.29 2.89 0.00 -0.46 -3.81 121.76 122.33 1bvh s ALA 111 Ca 0.18 -3.35 -0.41 0.00 0.00 0.00 0.00 51.96 48.37 1bvh s ALA 111 Cb 0.32 -2.21 -0.17 0.00 0.00 0.00 0.00 23.12 21.06 1bvh s ALA 111 CO -0.08 -2.04 1.67 1.63 0.00 0.00 0.00 175.76 176.94 1bvh n LYS 112 N 2.98 0.88 -3.55 0.00 5.02 0.18 -4.32 118.16 119.35 1bvh n LYS 112 Ca 0.07 0.32 -0.37 0.00 -2.02 0.00 0.00 58.31 56.32 1bvh n LYS 112 Cb 0.33 -1.96 -0.07 0.00 -0.02 0.00 0.00 35.03 33.31 1bvh n LYS 112 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bvh s ILE 113 N 3.12 5.28 0.22 -0.18 -1.09 -1.25 -0.84 121.20 126.45 1bvh s ILE 113 Ca 0.99 0.57 -0.21 0.00 -2.23 0.00 0.00 60.65 59.77 1bvh s ILE 113 Cb -1.16 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 36.13 1bvh s ILE 113 CO 0.68 0.43 0.64 -0.70 -1.23 0.00 0.00 174.94 174.76 1bvh s GLU 114 N 0.14 1.53 0.24 2.79 2.56 -1.05 -4.98 118.70 119.94 1bvh s GLU 114 Ca 0.18 -0.79 0.04 0.00 0.00 0.00 0.00 54.97 54.39 1bvh s GLU 114 Cb -0.13 0.58 -0.03 0.00 2.00 0.00 0.00 34.13 36.55 1bvh s GLU 114 CO 0.05 -0.68 0.37 -0.51 -0.56 0.00 0.00 175.26 173.93 1bvh s LEU 115 N -2.85 4.28 -0.00 2.70 1.43 -1.26 -1.83 118.68 121.14 1bvh s LEU 115 Ca 0.07 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 1bvh s LEU 115 Cb -0.03 -2.94 -0.06 0.00 0.03 0.00 0.00 46.19 43.19 1bvh s LEU 115 CO -0.02 -0.08 1.51 -0.22 0.23 0.00 0.00 176.35 177.77 1bvh s LEU 116 N -3.87 4.32 0.00 1.79 2.96 -0.96 -4.83 118.68 118.10 1bvh s LEU 116 Ca 0.35 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 1bvh s LEU 116 Cb -0.09 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1bvh s LEU 116 CO 0.30 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 1bvh n GLY 117 N 3.83 0.88 2.09 7.98 0.00 -1.26 -4.64 105.19 114.06 1bvh n GLY 117 Ca 0.15 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 1bvh n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bvh n SER 118 N 3.00 -2.95 0.00 1.61 7.64 -1.26 -5.02 113.62 116.64 1bvh n SER 118 Ca 0.00 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1bvh n SER 118 Cb 0.00 -1.74 0.00 0.00 -1.01 0.00 0.00 64.21 61.46 1bvh n SER 118 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1bvh n TYR 119 N -3.44 0.00 0.00 1.43 4.01 -1.26 -5.04 117.16 112.86 1bvh n TYR 119 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 1bvh n TYR 119 Cb 0.53 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.46 1bvh n TYR 119 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1bvh h ASP 120 N 0.00 -0.05 -0.56 7.72 1.82 -1.96 -3.41 116.42 119.99 1bvh h ASP 120 Ca 0.00 -0.51 -0.36 0.00 -0.39 0.00 0.00 57.03 55.77 1bvh h ASP 120 Cb 0.00 0.01 -0.05 0.00 0.68 0.00 0.00 39.33 39.98 1bvh h ASP 120 CO 0.00 0.50 1.43 -2.65 -1.61 0.00 0.00 179.24 176.92 1bvh n PRO 121 N -4.85 0.43 0.00 0.28 -0.02 -1.26 -4.89 135.00 124.68 1bvh n PRO 121 Ca -0.09 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 1bvh n PRO 121 Cb 0.28 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1bvh n PRO 121 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1bvh n GLN 122 N 8.13 2.52 -1.78 -0.52 6.02 -1.26 -4.75 117.38 125.75 1bvh n GLN 122 Ca 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1bvh n GLN 122 Cb 0.29 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.55 1bvh n GLN 122 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1bvh n LYS 123 N 0.00 -4.03 0.00 -1.09 3.00 -1.26 -4.98 118.16 109.79 1bvh n LYS 123 Ca 0.00 3.01 0.00 0.00 -0.00 0.00 0.00 58.31 61.32 1bvh n LYS 123 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 35.03 31.72 1bvh n LYS 123 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1bvh n GLN 124 N 1.39 1.95 -2.00 1.64 7.27 -1.26 -4.83 117.38 121.54 1bvh n GLN 124 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 1bvh n GLN 124 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1bvh n GLN 124 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1bvh n LEU 125 N 0.00 -3.56 -4.97 1.69 -0.00 -1.26 -5.05 117.00 103.85 1bvh n LEU 125 Ca 0.00 -0.02 -0.26 0.00 -0.00 0.00 0.00 56.01 55.73 1bvh n LEU 125 Cb 0.00 -1.75 0.14 0.00 -0.00 0.00 0.00 43.42 41.81 1bvh n LEU 125 CO 0.00 -0.37 0.67 -0.51 -0.00 0.00 0.00 177.39 177.18 1bvh s ILE 126 N -2.97 2.08 -0.75 1.96 2.07 -1.26 -4.98 121.20 117.35 1bvh s ILE 126 Ca 0.00 -0.38 -0.25 0.00 -1.41 0.00 0.00 60.65 58.61 1bvh s ILE 126 Cb -0.00 -2.70 0.05 0.00 0.13 0.00 0.00 42.46 39.93 1bvh s ILE 126 CO 0.24 0.00 1.21 -0.63 -1.91 0.00 0.00 174.94 173.85 1bvh s ILE 127 N -3.41 3.95 -0.42 2.00 1.01 -1.26 -4.84 121.20 118.22 1bvh s ILE 127 Ca 0.69 -0.01 0.10 0.00 0.00 0.00 0.00 60.65 61.44 1bvh s ILE 127 Cb -0.05 -4.86 0.39 0.00 0.01 0.00 0.00 42.46 37.95 1bvh s ILE 127 CO 0.47 -1.74 0.92 -0.62 0.00 0.00 0.00 174.94 173.97 1bvh n GLU 128 N 8.76 2.08 -3.69 2.79 1.02 -1.25 -3.78 120.64 126.57 1bvh n GLU 128 Ca 0.05 -3.94 -0.20 0.00 -0.02 0.00 0.00 57.16 53.05 1bvh n GLU 128 Cb 0.48 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1bvh n GLU 128 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bvh s ASP 129 N -3.10 5.67 0.44 1.62 1.11 -1.26 -5.03 116.67 116.12 1bvh s ASP 129 Ca 0.40 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.83 1bvh s ASP 129 Cb 0.37 -1.17 0.00 0.00 1.07 0.00 0.00 42.92 43.19 1bvh s ASP 129 CO -0.09 -0.35 0.00 -0.81 1.18 0.00 0.00 175.17 175.10 1bvh n PRO 130 N -1.48 0.22 0.21 8.23 -0.04 -1.26 -4.91 135.00 135.97 1bvh n PRO 130 Ca -0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1bvh n PRO 130 Cb 0.59 0.00 0.41 0.00 -0.04 0.00 0.00 33.50 34.46 1bvh n PRO 130 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1bvh h TYR 131 N -0.83 0.00 0.00 0.54 3.20 -2.01 -3.39 116.97 114.48 1bvh h TYR 131 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bvh h TYR 131 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1bvh h TYR 131 CO 0.00 0.30 0.00 0.66 -1.64 0.00 0.00 178.16 177.48 1bvh n TYR 132 N -3.54 0.00 0.00 -3.82 4.01 -1.26 -5.12 117.16 107.44 1bvh n TYR 132 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bvh n TYR 132 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 1bvh n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bvh n GLY 133 N 2.56 0.25 0.00 2.72 0.00 -1.26 -4.85 105.19 104.61 1bvh n GLY 133 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1bvh n GLY 133 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bvh n ASN 134 N 0.00 0.00 0.00 1.61 2.85 -1.26 -5.01 115.26 113.45 1bvh n ASN 134 Ca 0.00 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1bvh n ASN 134 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1bvh n ASN 134 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1bvh n ASP 135 N -0.32 0.00 -2.43 1.20 8.00 -1.26 -4.96 116.55 116.77 1bvh n ASP 135 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1bvh n ASP 135 Cb 0.00 0.16 0.01 0.00 -0.02 0.00 0.00 41.12 41.27 1bvh n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bvh n ALA 136 N -1.72 6.17 -2.82 2.24 0.00 -1.26 -4.60 120.51 118.51 1bvh n ALA 136 Ca 0.00 -3.05 -0.28 0.00 0.00 0.00 0.00 53.44 50.11 1bvh n ALA 136 Cb 0.00 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 1bvh n ALA 136 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bvh n ASP 137 N 0.17 4.68 -0.04 0.00 2.03 -1.26 -4.73 116.55 117.40 1bvh n ASP 137 Ca 0.48 -3.70 -0.00 0.00 0.52 0.00 0.00 54.79 52.09 1bvh n ASP 137 Cb 0.50 -0.57 -0.15 0.00 -0.72 0.00 0.00 41.12 40.18 1bvh n ASP 137 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1bvh n PHE 138 N -0.30 0.14 0.11 -0.67 7.35 -1.26 -4.23 117.46 118.60 1bvh n PHE 138 Ca 0.34 0.05 -0.03 0.00 -0.76 0.00 0.00 57.45 57.04 1bvh n PHE 138 Cb 0.44 -0.81 0.13 0.00 0.35 0.00 0.00 39.48 39.59 1bvh n PHE 138 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1bvh h GLU 139 N 0.00 0.11 0.00 -4.13 4.57 -1.99 -2.74 114.58 110.40 1bvh h GLU 139 Ca -0.27 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 1bvh h GLU 139 Cb 1.65 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 1bvh h GLU 139 CO 0.02 0.71 0.00 1.15 -1.18 0.00 0.00 179.01 179.71 1bvh h THR 140 N 0.08 0.00 0.00 0.32 2.02 -1.93 -2.49 112.91 110.90 1bvh h THR 140 Ca -0.01 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1bvh h THR 140 Cb 1.15 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1bvh h THR 140 CO 0.09 0.00 0.00 0.52 0.37 0.00 0.00 175.52 176.50 1bvh n VAL 141 N -2.99 0.00 -0.22 3.16 0.31 -1.03 -1.51 118.33 116.05 1bvh n VAL 141 Ca -0.01 0.94 0.01 0.00 -0.01 0.00 0.00 64.34 65.27 1bvh n VAL 141 Cb 0.19 -1.89 0.10 0.00 -0.91 0.00 0.00 33.84 31.32 1bvh n VAL 141 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1bvh h TYR 142 N 0.00 -0.14 0.12 3.52 5.03 -1.66 0.88 116.97 124.72 1bvh h TYR 142 Ca 0.00 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 1bvh h TYR 142 Cb 0.00 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 1bvh h TYR 142 CO 0.10 -0.22 -0.21 0.37 -1.32 0.00 0.00 178.16 176.88 1bvh h GLN 143 N 0.07 -0.35 0.00 1.82 4.15 -1.54 0.12 115.11 119.39 1bvh h GLN 143 Ca 0.33 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1bvh h GLN 143 Cb 0.54 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1bvh h GLN 143 CO -0.59 -0.23 0.29 1.96 -1.93 0.00 0.00 178.83 178.33 1bvh h GLN 144 N -0.36 0.00 -0.30 1.69 1.08 -0.76 0.11 115.11 116.56 1bvh h GLN 144 Ca -0.01 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.05 1bvh h GLN 144 Cb 0.34 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1bvh h GLN 144 CO -0.07 0.00 -0.33 0.00 -0.95 0.00 0.00 178.83 177.48 1bvh h VAL 146 N 0.52 0.00 0.00 0.00 2.07 -0.00 0.61 116.25 119.45 1bvh h VAL 146 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1bvh h VAL 146 Cb 0.91 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1bvh h VAL 146 CO 0.08 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.21 1bvh n ARG 147 N -5.35 0.05 0.04 1.57 5.12 -1.24 -2.26 116.66 114.60 1bvh n ARG 147 Ca -0.10 0.23 0.08 0.00 -1.93 0.00 0.00 57.85 56.13 1bvh n ARG 147 Cb 0.42 -1.50 0.37 0.00 -1.16 0.00 0.00 32.46 30.58 1bvh n ARG 147 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bvh h ARG 150 N 0.00 0.02 0.00 0.00 2.43 -1.55 0.28 114.38 115.56 1bvh h ARG 150 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bvh h ARG 150 Cb 0.69 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1bvh h ARG 150 CO 0.00 0.01 -0.02 0.00 -1.51 0.00 0.00 179.97 178.46 1bvh h ALA 151 N 1.09 1.13 0.00 2.80 0.00 -1.75 -0.41 119.26 122.13 1bvh h ALA 151 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bvh h ALA 151 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bvh h ALA 151 CO -0.09 0.02 -0.95 0.34 0.00 0.00 0.00 179.25 178.57 1bvh n PHE 152 N -3.29 0.88 0.09 0.00 -0.00 0.09 -3.83 117.46 111.41 1bvh n PHE 152 Ca -0.02 0.26 0.00 0.00 -0.00 0.00 0.00 57.45 57.68 1bvh n PHE 152 Cb 0.12 -0.89 -0.03 0.00 -0.00 0.00 0.00 39.48 38.68 1bvh n PHE 152 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1bvh h LEU 153 N 0.00 0.00 -1.04 -2.13 5.85 0.12 -2.83 115.31 115.27 1bvh h LEU 153 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1bvh h LEU 153 Cb 0.95 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1bvh h LEU 153 CO 0.00 0.60 -0.46 1.05 -0.34 0.00 0.00 178.44 179.29 1bvh h GLU 154 N 0.00 0.00 0.00 1.25 4.11 -1.54 0.21 114.58 118.61 1bvh h GLU 154 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 1bvh h GLU 154 Cb 1.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 1bvh h GLU 154 CO 0.07 0.46 -0.03 -0.22 0.07 0.00 0.00 179.01 179.36 1bvh h LYS 155 N 0.00 0.00 -1.57 1.06 1.63 -1.68 -3.33 116.57 112.68 1bvh h LYS 155 Ca -0.00 0.00 -0.68 0.00 -0.85 0.00 0.00 60.65 59.12 1bvh h LYS 155 Cb 0.85 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.22 1bvh h LYS 155 CO 0.06 0.53 0.88 1.33 -3.45 0.00 0.00 179.45 178.80 1bvh n VAL 156 N -4.68 3.53 1.16 2.00 0.24 -1.07 -5.15 118.33 114.36 1bvh n VAL 156 Ca -0.06 -3.44 0.09 0.00 -2.04 0.00 0.00 64.34 58.90 1bvh n VAL 156 Cb 0.26 -1.25 0.55 0.00 -1.47 0.00 0.00 33.84 31.93 1bvh n VAL 156 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55